Potassium Cation → 2-[(4-{4-[3-[3-(4-Fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenoxy}butyl)methylamino]ethylsulfonic Acid

HRID 160315Notes

Reaction equation

HRID 160315 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:37][NH:38][CH2:39][CH2:40][S:41](=[O:42])(=[O:43])[OH:44].[CH3:51][OH:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH:11]2[C:12](=[O:35])[N:13]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][F:34])[cH:27][cH:28]3)[CH:14]2[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[OH:36])[cH:6][cH:7]1.[K+:49].[K+:50].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH:11]2[C:12](=[O:35])[N:13]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][N:38]([CH3:37])[CH2:39][CH2:40][S:41](=[O:42])(=[O:43])[OH:44])[cH:27][cH:28]3)[CH:14]2[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[OH:36])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 7882N-MethyltaurineHCID 19660Carbonate IonHCID 210831373-[3-(4-Fluorophenyl)-3-hydroxypropyl]-1-[4-(4-fluorobutoxy)phenyl]-4-(4-methoxyphenyl)azetidin-2-one

Product 1

HCID 129933002-[(4-{4-[3-[3-(4-Fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenoxy}butyl)methylamino]ethylsulfonic Acid

Sources & evidence

ORD record
ord-f2d384b3f79b41a8877581853d893514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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